SCHEMBL5956432

SCHEMBL5956432

Cc1cccc(-c2sc(N)nc2-c2ccnc(-c3ccc(CN(C)C)cc3)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 16/20 0.49
MAPK14 Q16539 5/20 0.49
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
EGFR P00533 1/20 0.36
KDM4E B2RXH2 1/20 0.36
XBP1 P17861 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDR P35968 3/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5956633 0.84 TGFBR1 (0.54) TGFBR1MAPK14LMNAMAPTMAPK1
SCHEMBL5956381 0.83 TGFBR1 (0.46) TGFBR1MAPK14KDR
SCHEMBL5956685 0.81 TGFBR1 (0.48) TGFBR1MAPK14LMNAMAPTMAPK1
SCHEMBL5956435 0.81 TGFBR1 (0.48) TGFBR1MAPK14EGFR
SCHEMBL5956379 0.79 TGFBR1 (0.48) TGFBR1MAPK14LMNAMAPTMAPK1
SCHEMBL5956378 0.79 TGFBR1 (0.48) TGFBR1MAPK14LMNAMAPTMAPK1
SCHEMBL5956506 0.79 TGFBR1 (0.46) TGFBR1MAPK14LMNAMAPTMAPK1
SCHEMBL5956473 0.78 TGFBR1 (0.48) TGFBR1MAPK14LMNAMAPTALDH1A1
SCHEMBL5956656 0.76 PRKAB2 (0.49) TGFBR1MAPK14
SCHEMBL4033864 0.75 TGFBR1 (0.82) TGFBR1MAPK14LMNAMAPTMAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060004051-A1 Compounds DODIC NERINA 2006-01-05 US claimed
US-20060004051-A1 Compounds DODIC NERINA 2006-01-05 US disclosed
EP-1554275-A2 COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-20 EP disclosed
WO-2004013134-A2 COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-02-12 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060004051-A1 Compounds SMAD3, SMAD2, TGFBR1 TGFBR1 3/4885MAPK14 297/4885LMNA 1565/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.